SCHEMBL7700129

SCHEMBL7700129

COC(=O)C=Cc1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TYR P14679 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MEN1 O00255 2/20 0.35
NFE2L2 Q16236 2/20 0.33
HTT P42858 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TTR P02766 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 5/20 0.32
TP53 P04637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7700127 1.00 KDM4E (0.36) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL7700122 0.76 HTT (0.36) KDM4EHTTGAA
SCHEMBL7705140 0.76 HTT (0.38) KDM4EHTTGAA
SCHEMBL7705141 0.76 HTT (0.38) KDM4EHTTGAA
SCHEMBL1310629 0.75 HDAC1 (0.52) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL2154529 0.75 HDAC1 (0.52) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL633115 0.75 HTT (0.42) KDM4ESMN1; SMN2HTTMAPTGAA
SCHEMBL16852916 0.71 KMT2A (0.42) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL16831975 0.71 KMT2A (0.42) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL14789416 0.69 CDK5 (0.42) KDM4EKMT2ASMN1; SMN2CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed